SCHEMBL18459302

SCHEMBL18459302

C=Nc1nc(C)cc(C)c1/C=C\C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NOS2 P35228 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22268891 0.72 KDM4E (0.44) KDM4EALDH1A1GAAMAPTNOS2
SCHEMBL20099129 0.71 CCR1 (0.31) NOS2
SCHEMBL21298004 0.68
SCHEMBL25954379 0.65
SCHEMBL17983436 0.62 KDM4E (0.35) KDM4EALDH1A1GAAMAPT
SCHEMBL21322469 0.62
SCHEMBL20320657 0.61 NOS2 (0.31) NOS2
SCHEMBL20860729 0.61 NOS2 (0.39) KDM4EALDH1A1NOS2
SCHEMBL21171419 0.60
SCHEMBL19217029 0.60

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885ALDH1A1 1717/4885GAA 593/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885ALDH1A1 1717/4885GAA 593/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885ALDH1A1 1717/4885GAA 593/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885ALDH1A1 1717/4885GAA 593/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.